Index Catalog // ScholarsArchive@OSU

Theoretical Study of Solvent Effects in Heterogeneous Catalysis using Density Functional Theory

Creator:: Chukwu, Kingsley C.
Abstract:: Heterogeneous catalytic reactions in solvents are important for chemical processes like direct methanol fuels, biomass conversion to biofuels and electrochemical reduction of CO2 to fuels. Numerous experimental studies have shown that co-adsorbates and solvents affect the rate and selectivity of heterogeneous catalytic reaction, therefore fundamental understanding of how co-adsorbates and...
Resource Type:: Dissertation
Full Text:: Líney Árnadóttir Heterogeneous catalytic reactions in solvents are important for chemical processes

Oxidation Energies of Chromium and Tungsten Substituted Ni (111) Surfaces

Creator:: Roth, Anika
Abstract:: The corrosion and heat resistance properties of nickel alloys are hallmarks of their importance in infrastructure and industrial catalysis processes, but these properties are highly dependent on the chemical composition of the alloy surface. Density functional theory was used for analysis of surface oxidation of four combinations of chromium and...
Resource Type:: Honors College Thesis
Full Text:: . APPROVED: _____________________________________________________________________ Liney Arnadottir

Optimizing Cancer Drug Treatment Models Using Process Dynamics

Creator:: Jones, Alexander R.
Abstract:: Cancer is currently the second leading cause of death in the United States and the sixth leading cause of death worldwide. Due to cancer’s variability in type, location, growth rates, and patient physiology, treatment models are based off of previous experimental and clinical work. This variability, however, can lead to...
Resource Type:: Honors College Thesis
Full Text:: . Abstract approved:_____________________________________________________ Líney Árnadóttir Cancer

Predicting the Effect of Local Conditions on Metal-oxides: Pt/γ-Al₂O₃ Interface and Degradation of α-Cr₂O₃ Passive Film

Creator:: Oware Sarfo, Kofi
Abstract:: Metal-oxides are very important in industrial applications such as thermal barrier coatings, corrosion protection, and heterogeneous catalysis. The wide variety of applications for metal-oxides are derived from the array of properties of metal-oxides. It is, therefore, important to understand and predict the conditions of synthesis and operation to optimize the...
Resource Type:: Dissertation
Full Text:: : ______________________________________________________ Líney Árnadóttir Metal-oxides are very important in industrial applications such as

Thermodynamic analysis of a magnesium carbonate thermochemistry and compressed air energy storage system

Creator:: Rebarchik, Eric R.
Abstract:: In this work, a hybrid thermochemistry compressed air energy storage (CAES) system is investigated. Following a review on chemical reactions investigated for use in thermochemical energy storage (TCES) systems, from these chemistries, the conversion of magnesium carbonate, MgCO3, to magnesium oxide, MgO, and carbon dioxide, CO2, was further analyzed for...
Resource Type:: Honors College Thesis
Full Text:: _____________________________________________________________________ Líney Árnadóttir, Committee Member, representing Chemical Engineering

Classifying the toxicity of pesticides to honey bees via support vector machines with random walk graph kernels

Creator:: Yang, Ping
Abstract:: Pesticides benefit agriculture by increasing crop yield, quality, and security. However, pesticides may inadvertently harm bees, which are valuable as pollinators. Thus, candidate pesticides in development pipelines must be assessed for toxicity to bees. Leveraging a data set of 382 molecules with toxicity labels from honey bee exposure experiments, we...
Resource Type:: Masters Thesis
Full Text:: study under his guidance. I would also like to appreciate Dr. Ĺıney Árnadóttir and Dr. Chih-Hung

Structure-Property Relationships of Supported Palladium and Rhenium Oxide for the Alkane Rearrangement of Hydrocarbons and Deconstruction of Polyethylene via Tandem Dehydrogenation and Olefin Metathesis

Creator:: Moore, Selena C.
Abstract:: The rapid accumulation of plastic waste in landfill, waterways and oceans is becoming a critical problem, one that current recycling technologies are not capable of solving. Recent proposed approaches in the depolymerization of waste plastics employ an Olefin-Intermediate Process (OIP), where feedstocks like polyolefin plastics are ‘activated,’ producing an olefin...
Resource Type:: Masters Thesis
Full Text:: thank my defense committee, Dr. Liney Arnadottir, Dr. Konstantinos Goulas, and Dr. Frank Chaplen, who

Understanding Charge and Mass Transfer Phenomena in Functional Oxide Heterostructures

Creator:: Samarakoon, Widitha
Abstract:: Oxides are a versatile class of materials with a wide range of electronic, optical, and magnetic properties. This makes them ideal for use in a multitude of functional devices for oxide electronics, electrochemical conversion, and storage. The overall performance of these devices is governed by atomic scale charge and mass...
Resource Type:: Dissertation
Full Text:: committee members, Prof. Liney Arnadottir, Dr. Kelsey Stoerzinger and Dr. Tianyi Chen. Thank you very much

Experimental and theoretical analysis of radial porosity in a monodisperse sphere packing

Creator:: Nakamoto, Nathan
Abstract:: This thesis presents an experimental study of radial porosity in a manually filled cylindrical container with glass spheres. The symmetric distribution of bead diameter allowed for normalization of container properties and porosity models. The aspect ratio of the container was approximately 3.9, with tube-to-particle-diameter ratio λ ≈ 24.6 and height-to-particle-diameter...
Resource Type:: Masters Thesis

Robust Reference-Free Sim-to-Real Reinforcement Learning for Bipedal Locomotion

Creator:: Siekmann, Jonah A.
Abstract:: In recent years, model-free Deep Reinforcement Learning (RL) has become an increasingly popular alternative to more traditional model-based or optimization-based control methods in solving robotic legged locomotion. However, deploying RL in the real world can be a significant undertaking. Constructing reward functions which compel controllers to learn the desired behavior...
Resource Type:: Masters Thesis

ScholarsArchive@OSU

Theoretical Study of Solvent Effects in Heterogeneous Catalysis using Density Functional Theory

Oxidation Energies of Chromium and Tungsten Substituted Ni (111) Surfaces

Optimizing Cancer Drug Treatment Models Using Process Dynamics

Predicting the Effect of Local Conditions on Metal-oxides: Pt/γ-Al₂O₃ Interface and Degradation of α-Cr₂O₃ Passive Film

Thermodynamic analysis of a magnesium carbonate thermochemistry and compressed air energy storage system

Classifying the toxicity of pesticides to honey bees via support vector machines with random walk graph kernels

Structure-Property Relationships of Supported Palladium and Rhenium Oxide for the Alkane Rearrangement of Hydrocarbons and Deconstruction of Polyethylene via Tandem Dehydrogenation and Olefin Metathesis

Understanding Charge and Mass Transfer Phenomena in Functional Oxide Heterostructures

Experimental and theoretical analysis of radial porosity in a monodisperse sphere packing

Robust Reference-Free Sim-to-Real Reinforcement Learning for Bipedal Locomotion

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